3-(4-fluorophenyl)cinnolin-4-amine

C14H10FN3 — CID 10933577

IUPAC3-(4-fluorophenyl)cinnolin-4-amine
SMILESNc1c(-c2ccc(F)cc2)nnc2ccccc12
InChIInChI=1S/C14H10FN3/c15-10-7-5-9(6-8-10)14-13(16)11-3-1-2-4-12(11)17-18-14/h1-8H,(H2,16,17)
InChIKeyFIXRGTBZMWKAKG-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.02
Rot. Bonds1

About 3-(4-fluorophenyl)cinnolin-4-amine

3-(4-fluorophenyl)cinnolin-4-amine (PubChem CID 10933577) has the molecular formula C14H10FN3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)cinnolin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)cinnolin-4-amine
PubChem CID10933577
Molecular FormulaC14H10FN3
Molecular Weight239.25 g/mol
Exact Mass239.09
IUPAC Name3-(4-fluorophenyl)cinnolin-4-amine
SMILESNc1c(-c2ccc(F)cc2)nnc2ccccc12
InChIInChI=1S/C14H10FN3/c15-10-7-5-9(6-8-10)14-13(16)11-3-1-2-4-12(11)17-18-14/h1-8H,(H2,16,17)
InChIKeyFIXRGTBZMWKAKG-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)cinnolin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)cinnolin-4-amine (CID 10933577) is 3-(4-fluorophenyl)cinnolin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)cinnolin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)cinnolin-4-amine is Nc1c(-c2ccc(F)cc2)nnc2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)cinnolin-4-amine?
The InChIKey is FIXRGTBZMWKAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3/c15-10-7-5-9(6-8-10)14-13(16)11-3-1-2-4-12(11)17-18-14/h1-8H,(H2,16,17).
What are the key properties of 3-(4-fluorophenyl)cinnolin-4-amine?
3-(4-fluorophenyl)cinnolin-4-amine has a molecular weight of 239.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)cinnolin-4-amine is sourced from PubChem (CID 10933577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).